3-[(3-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide

C20H25ClN2O5S — CID 31443271

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H25ClN2O5S/c1-4-23(14-15-8-9-18(27-2)19(12-15)28-3)20(24)10-11-22-29(25,26)17-7-5-6-16(21)13-17/h5-9,12-13,22H,4,10-11,14H2,1-3H3
InChIKeyZSWDLRZTYJHMRZ-UHFFFAOYSA-N
MW440.95 g/mol
LogP3.07
Rot. Bonds10

About 3-[(3-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide

3-[(3-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide (PubChem CID 31443271) has the molecular formula C20H25ClN2O5S and a molecular weight of 440.95 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide
PubChem CID31443271
Molecular FormulaC20H25ClN2O5S
Molecular Weight440.95 g/mol
Exact Mass440.12
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H25ClN2O5S/c1-4-23(14-15-8-9-18(27-2)19(12-15)28-3)20(24)10-11-22-29(25,26)17-7-5-6-16(21)13-17/h5-9,12-13,22H,4,10-11,14H2,1-3H3
InChIKeyZSWDLRZTYJHMRZ-UHFFFAOYSA-N
XLogP3.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-3-[(3-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 35825092
3-[(3-chlorophenyl)sulfonylamino]-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide
CID 46414686
3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 51162789
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
3-[(3-chlorophenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 32589258
N-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide
CID 55121332
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113054992
2-(2,5-dichlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 55398454
5-chloro-2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 24578784
methyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate
CID 31701712
(5-acetyl-2-methoxyphenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 41035641
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide
CID 78808448

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide (CID 31443271) is 3-[(3-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide?
The InChIKey is ZSWDLRZTYJHMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O5S/c1-4-23(14-15-8-9-18(27-2)19(12-15)28-3)20(24)10-11-22-29(25,26)17-7-5-6-16(21)13-17/h5-9,12-13,22H,4,10-11,14H2,1-3H3.
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide has a molecular weight of 440.95 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide is sourced from PubChem (CID 31443271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).